L-CITRULLINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 29VT07BGDA
EPA CompTox DTXSID80883373

Structure

InChI Key RHGKLRLOHDJJDR-BYPYZUCNSA-N
Smiles NC(=O)NCCC[C@H](N)C(=O)O
InChI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N3O3
Molecular Weight 175.19
AlogP -1.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 118.44
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 119.67-135.09
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 119.67-135.09
Homo sapiens
- - - - 0

Cross References

Resources Reference
ChEBI 16349
ChEMBL CHEMBL444814
DrugBank DB00155
DrugCentral 3103
FDA SRS 29VT07BGDA
Human Metabolome Database HMDB0000904
Guide to Pharmacology 722
KEGG C00327
PDB CIR
PharmGKB PA164747225
SureChEMBL SCHEMBL20588
ZINC ZINC000001532614
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